Information card for entry 7046566

Structure parameters

• Formula: C55 H59 B Cl4 F4 Fe2 N5 O2 P2
• Calculated formula: C55 H59 B Cl4 F4 Fe2 N5 O2 P2
• Title of publication: Bridging cyanides from cyanoiron metalloligands to redox-active dinitrosyl iron units.
• Authors of publication: Ghosh, Pokhraj; Quiroz, Manuel; Pulukkody, Randara; Bhuvanesh, Nattamai; Darensbourg, Marcetta Y.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 34
• Pages of publication: 11812 - 11819
• a: 13.643 ± 0.007 Å
• b: 14.261 ± 0.008 Å
• c: 14.533 ± 0.007 Å
• α: 91.49 ± 0.03°
• β: 98.57 ± 0.02°
• γ: 91.66 ± 0.03°
• Cell volume: 2794 ± 3 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No